SCHEMBL7419094

SCHEMBL7419094

C=CC[C@H](NC(=O)CC1CCCN(c2ccc(C(=N)N)cc2)C1=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
F9 P00740 3/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
ITGB3 P05106 14/20 0.38
ITGA2B P08514 14/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8115266 0.94 ITGB3 (0.40) F9ITGB3ITGA2B
SCHEMBL7417370 0.94 ITGB3 (0.40) F9ITGB3ITGA2B
SCHEMBL7418509 0.94 ITGB3 (0.40) F9ITGB3ITGA2B
SCHEMBL27351406 0.89 ITGB3 (0.46) F10F9F2PRSS1ITGB3
SCHEMBL7423343 0.88 ITGB3 (0.42) F10F9F2PRSS1ITGB3
SCHEMBL7424212 0.88 ITGB3 (0.42) F10F9F2PRSS1ITGB3
SCHEMBL7412383 0.85 F10 (0.46) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7419108 0.84 ITGB3 (0.35) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7416268 0.83 ITGB3 (0.52) F10F9ITGB3ITGA2B
SCHEMBL7416280 0.83 ITGB3 (0.52) F10F9ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed